Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQNLLIQAENAIALLFLLNDKNLKGKIDLIYIDPPFATNNHFTITNGRATTISNSKNGDIAYSDKVVGMDFMEFLKQRLVLLKELLSEQGSIYVHTDYKIGHYVKVMLDEIFGIQNFRNEITRIKCNPKNFKRIGYGNIKDMILFYSKGKNPIFNEPKIPYTPQDLEKRFPKIDKDKRRYTTVPIHAPGEVESGECSKAFKGMLPPKGRHWRTDIATLERWDKEGLIEYSNNNNPRKKIYALEQVGKRVQDIWEFKDPQYPSYPTEKNAQLLDLIIKTSSNKDSIVLDCFCGSGTTLKSAFLLQRKFIGIDNSDLAIQACKNKLETIT---KDLFVSQNFYDFLVF |
3GDH Chain:A ((78-139)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KCDVVVDAFCGVGGNTIQFALTGMRVIAIDIDPVKIALARNNAEVYGIADKIEFICGDFLLLASF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GDH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -22072 for 410 contacts (-53.8/contact) +
2D Compatibility (PS) -6307 + (NN) -1135 + (LL) 16732
1D Compatibility (HY) -4000 + (ID) 850
Total energy: -17632.0 ( -43.00 by residue)
QMean score : 0.554
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